SCHEMBL9258919

SCHEMBL9258919

NC(=O)N(O)Cc1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
ALOX5 P09917 2/20 0.49
PSEN1 P49768 1/20 0.49
TP53 P04637 6/20 0.48
LMNA P02545 4/20 0.48
MAOB P27338 1/20 0.46
PPARD Q03181 3/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42
TLR7 Q9NYK1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9005921 0.90 TP53 (0.52) PPARGPPARATP53LMNAMAPT
SCHEMBL9261010 0.87 PPARG (0.51) PPARGPPARAALOX5TP53LMNA
SCHEMBL9261216 0.87 ALDH1A1 (0.55) PPARGPPARATP53LMNAMAPT
SCHEMBL9263830 0.86 PPARA (0.51) PPARGPPARAALOX5TP53MAPT
SCHEMBL9261712 0.84 TP53 (0.53) PPARGPPARAALOX5PSEN1TP53
SCHEMBL9089772 0.81 PPARG (0.53) PPARGPPARAALOX5MAOBPPARD
SCHEMBL9005898 0.79 PPARA (0.57) PPARGPPARATP53LMNAMAPT
SCHEMBL9266531 0.79 TP53 (0.51) PPARGPPARAALOX5PSEN1TP53
SCHEMBL9594793 0.79 PPARA (0.55) PPARGPPARAALOX5TP53LMNA
SCHEMBL9264234 0.78 ALOX5 (0.50) PPARGPPARAALOX5PSEN1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459154-A Enzyme inhibitors as antiinflammatory agents and treatment of atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US claimed
US-5459154-A Enzyme inhibitors as antiinflammatory agents and treatment of atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US disclosed